Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50111592
Substrate
n/a
Meas. Tech.
ChEMBL_53613 (CHEMBL661843)
IC50
60000±n/a nM
Citation
 McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:1712-22 (2002) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | DHFR | DYR_CHICK
Type:
n/a
Mol. Mass.:
21652.69
Organism:
Gallus gallus (Chicken)
Description:
n/a
Residue:
189
Sequence:
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
  
Inhibitor
Name:
BDBM50111592
Synonyms:
6,6'-Dichloro-4,4'-dimethyl-[2,2']bi[benzo[b]thiophenylidene]-3,3'-dione | CHEMBL45343
Type:
Small organic molecule
Emp. Form.:
C18H10Cl2O2S2
Mol. Mass.:
393.307
SMILES:
Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
Structure:
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